General Information of the Compound
| Compound ID |
CP0868982
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| Compound Name |
(S)-2-(hydroxydiphenylmethyl)-1-methyl-N-(1-methyl-6-oxopiperidin-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
CN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)CCC1=O
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| InChI |
InChI=1S/C28H28N4O3/c1-31-18-22(14-16-25(31)33)29-26(34)19-13-15-23-24(17-19)32(2)27(30-23)28(35,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-13,15,17,22,35H,14,16,18H2,1-2H3,(H,29,34)/t22-/m0/s1
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| InChIKey |
PYJVKKCSZPEEPQ-QFIPXVFZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound